AG0001SD

1003712-20-6 | Benzonitrile, 2,5-difluoro-3-methyl-

AG0001SD

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CAS Number	1003712-20-6
Catalog Number	AG0001SD(AGN-PC-07A7SS)
Chemical Name	Benzonitrile, 2,5-difluoro-3-methyl-
IUPAC Name	2,5-difluoro-3-methylbenzonitrile
InChI	InChI=1S/C8H5F2N/c1-5-2-7(9)3-6(4-11)8(5)10/h2-3H,1H3
InChI Key	GOCHUEANXRBERE-UHFFFAOYSA-N
MDL Number	MFCD09996954
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	N#CC1=CC(F)=CC(C)=C1F
Synonyms	2,5-Difluoro-3-methylbenzonitrile, 1003712-20-6, 2,5-Difluoro-3-methyl benzonitrile, AK-37244, PubChem8340, SCHEMBL20562679, KS-00000HQV, DTXSID90662797, 2,5-Difluoro-3-methylbenzonitile, 0186AA, FCH880052, MFCD09996954, ZINC19616044, AKOS006303782, AM62524, AS05014, Benzonitrile, 2,5-difluoro-3-methyl-, LF10952, QC-7447, AJ-74034, DS-13246, AB0070672, AX8160404, DB-058418, FT-0716882, 2,5-DIFLUORO-3-METHYLBENZENECARBONITRILE, I01-6830, C8H5F2N, ACN-055781, A16193, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.132g/mol
Monoisotopic Mass	153.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number